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Compounds

COMPOUND NPA012381

STRUCTURE

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PROPERTIES

NPAID	NPA012381
CLUSTER ID	559
NODE ID	498
NAME	(7S,11S,12S)-cystoketal
FORMULA	C28H38O4
MOLECULAR WEIGHT (Da)	438.6080
ACCURATE MASS (Da)	438.2770
ORIGIN ORGANISM TYPE	Fungus
ORIGIN GENUS	Cystophora
ORIGIN SPECIES	fibrosa
InChIKey	QLZXRBQCYQJZLU-GAWWNQCXSA-N
InChI	InChI=1S/C28H38O4/c1-19(9-10-21-17-22(30-7)16-20(2)24(21)29)15-23-18-26(5)11-8-12-27(26,6)28(31-23)14-13-25(3,4)32-28/h9,13-14,16-18,29H,8,10-12,15H2,1-7H3/b19-9+/t26-,27-,28-/m0/s1
SMILES	CC1=CC(=CC(=C1O)C/C=C(\C)/CC2=C[C@@]3(CCC[C@@]3([C@]4(O2)C=CC(O4)(C)C)C)C)OC

ORIGINAL ISOLATION REFERENCE

CITATION	Laird, Damian W; van Altena, Ian A Tetraprenyltoluquinols from the brown alga Cystophora fibrosa Phytochemistry 2006 67 (10) 944-955.
DOI	10.1016/j.phytochem.2006.03.011	PMID	16678228

ORIGINAL ISOLATION TAXONOMY

RANK	NAME	DB LINK	NCBI
Domain	Eukarya	-	2759
Kingdom	Fungi	MycoBank	4751
Phylum	Ascomycota	MycoBank	4890
Genus	Cystophora	MycoBank	-

CLASSYFIRE

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DESCRIPTION	[[ getValue('description') ]]
KINGDOM	[[ getValue('kingdom') ]]
SUPER CLASS	[[ getValue('superclass') ]]
CLASS	[[ getValue('class') ]]
SUB CLASS	[[ getValue('subclass') ]]
MOLECULAR FRAMEWORK	[[ getValue('molecular_framework') ]]

NP CLASSIFIER

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SUPER CLASS	[[ getValue('superclass_results') ]]
CLASS	[[ getValue('class_results') ]]
PATHWAY	[[ getValue('pathway_results') ]]
IS GLYCOSIDE?	[[ getValue('isglycoside') ]]

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